Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | RXRA | P19793 | 4/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 4/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | LSS | P48449 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLQ | O75417 | 2/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13730307 | 0.85 | CFTR (0.60) | CFTRRXRANR1H2NR1H3MRGPRX4 | |
| SCHEMBL28205058 | 0.84 | CYP3A4 (0.50) | CFTRCYP3A4CYP2D6SLC6A4HTR2A | |
| SCHEMBL3930119 | 0.84 | CYP3A4 (0.54) | CYP3A4CYP2D6SLC6A4HTR2AKCNH2 | |
| SCHEMBL477875 | 0.84 | CFTR (0.59) | CFTRRXRANR1H2NR1H3MRGPRX4 | |
| SCHEMBL1435026 | 0.82 | CFTR (0.57) | CFTRRXRANR1H2NR1H3MRGPRX4 | |
| SCHEMBL27366276 | 0.79 | CFTR (0.54) | CFTRRXRANR1H2NR1H3MRGPRX4 | |
| SCHEMBL22263091 | 0.78 | CFTR (0.73) | CFTRMRGPRX4CES2KDM4ECYP2C19 | |
| SCHEMBL25085889 | 0.76 | CFTR (0.65) | CFTRMRGPRX4CES2KDM4ECYP1A2 | |
| SCHEMBL8747756 | 0.76 | CFTR (0.53) | CFTRCYP3A4CYP2D6SLC6A4MRGPRX4 | |
| SCHEMBL10742959 | 0.75 | CFTR (0.64) | CFTRMRGPRX4CES2KDM4ECYP2C19 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1831198-B1 | PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS | ASTRAZENECA AB (SE) | 2009-04-08 | — | — | EP | disclosed |
| CN-101128454-A | Pyridine carboxamide derivatives for use as anticancer agents | ASTRAZENECA AB (SE) | 2008-02-20 | — | — | CN | disclosed |